Geometry & MOs

Info

ID:	79282
PubChem CID:	49747810
Reduced:	N4O5C27H32 (1)
Stoich.:	A4B5C27D32 (1)
Weight, g/mol:	478.22162
ΔH_f, kcal/mol:	-170.48
Dipole, Da:	2.87
IP(EA), eV:	-8.3(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CNC(=O)C(=O)NC2=CC3=C4C(=C2)CCC(=O)N4CCC3)N5CCOCC5

DOS

IR

Vibrations