Geometry & MOs

Info

ID:	133227
PubChem CID:	51495719
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	17.37
Dipole, Da:	1.18
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(S)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)CN(C)[C@@H](C)CC3=CC=CC=N3)OC

DOS

IR

Vibrations