Geometry & MOs

Info

ID:	331240
PubChem CID:	127248647
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	435.182588
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	5.28
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations