Geometry & MOs

Info

ID:	65530
PubChem CID:	46386592
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	1.95
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-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)NC4CCCCCC4

DOS

IR

Vibrations