Geometry & MOs

Info

ID:	312680
PubChem CID:	126607291
Reduced:	OSN5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	388.237545
ΔH_f, kcal/mol:	34.73
Dipole, Da:	5.74
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-(1H-benzimidazol-2-yl)-N-[1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]ethenyl]-1-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CN1CCC(C[C@@H]1C2=NC3=C(N2)CCC=C3)NC(=O)NC4=CC=C(S4)C5=CC=CC=C5

DOS

IR

Vibrations