Geometry & MOs

Info

ID:	152106
PubChem CID:	56310965
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	382.156039
ΔH_f, kcal/mol:	22.69
Dipole, Da:	2.91
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(CC3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations