Geometry & MOs

Info

ID:	65546
PubChem CID:	46386608
Reduced:	N3O5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	433.123798
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	6.14
IP(EA), eV:	-8.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations