Geometry & MOs

Info

ID:	142359
PubChem CID:	53021104
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	6.27
IP(EA), eV:	-8.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-3-(6-phenoxypyrimidin-4-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)OC4=CC=CC=C4OC

DOS

IR

Vibrations