Geometry & MOs

Info

ID:	164063
PubChem CID:	74381721
Reduced:	N4O4C27H42 (1)
Stoich.:	A4B4C27D42 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-200.06
Dipole, Da:	6.85
IP(EA), eV:	-8.94(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-8-(2-methylphenyl)-N-prop-2-ynyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2C(C1C(CNC3CCN(CC3)CCC(=O)NCCC4=CC=CC=C4)O)CCC(=O)N2)O

DOS

IR

Vibrations