Geometry & MOs

Info

ID:	168417
PubChem CID:	74965507
Reduced:	N3O4C33H43 (1)
Stoich.:	A3B4C33D43 (1)
Weight, g/mol:	377.106168
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	2.12
IP(EA), eV:	-7.98(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[benzyl(ethyl)amino]diazinan-3-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1(CC2CCC1C=C2C3=CC=CC=C3)CCN(C)CCCC4=NC5=C(C=CC(=C5N4)OC)OC

DOS

IR

Vibrations