Geometry & MOs

Info

ID:	65490
PubChem CID:	46386552
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	2.33
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations