Geometry & MOs

Info

ID:	305981
PubChem CID:	124996601
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	45.8
Dipole, Da:	7.0
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,6-trimethyl-2-[(2S)-2-methyl-1-(4-methylphenyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)[C@@H]3CCN(C3)C(=O)C4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations