Geometry & MOs

Info

ID:	416263
PubChem CID:	135089275
Reduced:	SN5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	85.46
Dipole, Da:	4.0
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CSC2=N1)N3CCCN(CC3)CC4=CC=CC=N4

DOS

IR

Vibrations