Geometry & MOs

Info

ID:	421785
PubChem CID:	135116608
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-135.18
Dipole, Da:	1.97
IP(EA), eV:	-8.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1OC)Cl)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations