Geometry & MOs

Info

ID:	331243
PubChem CID:	127248650
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	415.237211
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	1.98
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=CC(=CC=C3)OC)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations