Geometry & MOs

Info

ID:	419197
PubChem CID:	135107709
Reduced:	ON3C23H33 (1)
Stoich.:	AB3C23D33 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-14.23
Dipole, Da:	2.64
IP(EA), eV:	-8.24(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CN(C)CC2=CC(=CC=C2)O)C)CN3CCN(CC3)C

DOS

IR

Vibrations