Geometry & MOs

Info

ID:	336016
PubChem CID:	127255023
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	312.196841
ΔH_f, kcal/mol:	-167.69
Dipole, Da:	2.95
IP(EA), eV:	-8.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-nonylbenzimidazole;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCOC3=CC=CC=C3OC)C(=O)N)C4=CC=CC=C4O2

DOS

IR

Vibrations