Geometry & MOs

Info

ID:	305459
PubChem CID:	124955677
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	448.202302
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	10.02
IP(EA), eV:	-9.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-4-methyl-2-[(2R)-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)[C@H]2CN(CCO2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations