Geometry & MOs

Info

ID:	79263
PubChem CID:	49747719
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	5.71
IP(EA), eV:	-8.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC3=C4C(=C2)CCC(=O)N4CCC3)N(C)C

DOS

IR

Vibrations