Geometry & MOs

Info

ID:	20060
PubChem CID:	577965
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	6.83
IP(EA), eV:	-8.52(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-acetyl-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-10-yl)methyl acetate

Drug info:

PubChemData

Smile

CCC12CC(C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3C(=O)C)COC(=O)C

DOS

IR

Vibrations