Geometry & MOs

Info

ID:	416801
PubChem CID:	135090439
Reduced:	FON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	4.32
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-4-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NC=C1)N(C)CC(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations