Geometry & MOs

Info

ID:	335697
PubChem CID:	127254559
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	6.29
IP(EA), eV:	-8.34(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-11-oxo-10-[3-(1-propan-2-ylbenzimidazol-2-yl)propyl]-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3(CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations