Geometry & MOs

Info

ID:	417822
PubChem CID:	135102832
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	2.93
IP(EA), eV:	-9.2(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methylphenoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations