Geometry & MOs

Info

ID:	415673
PubChem CID:	135088672
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	4.28
IP(EA), eV:	-9.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]benzimidazole

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NC=N2)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations