Geometry & MOs

Info

ID:	188404
PubChem CID:	77711671
Reduced:	N4O5C44H46 (1)
Stoich.:	A4B5C44D46 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	1.79
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-6-[[5-(methoxymethyl)-1-methylpyrrolidin-2-ylidene]amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

CCCCC(C(=O)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2)(C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N(CN)NC(=O)COC6=CC=CC=C6

DOS

IR

Vibrations