Geometry & MOs

Info

ID:	328235
PubChem CID:	126700323
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	485.253923
ΔH_f, kcal/mol:	52.04
Dipole, Da:	2.88
IP(EA), eV:	-7.83(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino-[(4-methoxyphenyl)methyl]amino]-4-(6-pyrrolidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)pyridin-3-amine

Drug info:

PubChemData

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CN1CC[C@H]2[C@@H](C1)C3=CC=CC4=C3N2CC5=CC=CC=C5C4

DOS

IR

Vibrations