Geometry & MOs

Info

ID:	331250
PubChem CID:	127248657
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	4.72
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CC3CCCCC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations