Geometry & MOs

Info

ID:	328315
PubChem CID:	126700671
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	6.31
IP(EA), eV:	-8.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(1,3-benzodioxol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)N[C@@H](C4CC4)C(=O)N)N=C2C5=CC6=C(CNC6=O)C=C5

DOS

IR

Vibrations