Geometry & MOs

Info

ID:	331241
PubChem CID:	127248648
Reduced:	ClON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	32.56
Dipole, Da:	4.0
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-acetylpyrrolidin-3-yl)-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations