Geometry & MOs

Info

ID:	414454
PubChem CID:	135087412
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	78.38
Dipole, Da:	3.97
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[1-(4-methylanilino)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CN(C)CC3=NC=CS3

DOS

IR

Vibrations