Geometry & MOs

Info

ID:	416725
PubChem CID:	135090178
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	5.6
IP(EA), eV:	-8.68(-0.08)
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-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3CCCC3

DOS

IR

Vibrations