Geometry & MOs

Info

ID:	422571
PubChem CID:	135118057
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-126.01
Dipole, Da:	5.82
IP(EA), eV:	-9.1(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)N2CCC(=O)N3CCC(C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations