Geometry & MOs

Info

ID:	49967
PubChem CID:	11538474
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	395.17461
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	5.66
IP(EA), eV:	-8.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-N-phenyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

DOS

IR

Vibrations