Geometry & MOs

Info

ID:	448824
PubChem CID:	135293821
Reduced:	NOPC52H57 (1)
Stoich.:	ABCD52E57 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	188.06
Dipole, Da:	7.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.968599
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxypyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\C5=CC=CC=C5)/C6=CC=CC#C6

DOS

IR

Vibrations