Geometry & MOs

Info

ID:	399227
PubChem CID:	135038926
Reduced:	NOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	51.7
Dipole, Da:	4.46
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-5-ylmethyl)-3,5-dimethoxyaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/N2C=C(C3=CC=CC=C32)C=O

DOS

IR

Vibrations