Geometry & MOs

Info

ID:	422506
PubChem CID:	135117949
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	2.54
IP(EA), eV:	-8.26(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)CN2CCC[C@]3(C2)CCC[C@H]3OC)C)C

DOS

IR

Vibrations