Geometry & MOs

Info

ID:	196849
PubChem CID:	78885808
Reduced:	ClNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	293.152812
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	2.04
IP(EA), eV:	-8.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-imidazol-1-ylphenyl)methyl]-2-(methoxymethyl)aniline

Drug info:

PubChemData

Smile

COCC1=CC=CC=C1NCC2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations