Geometry & MOs

Info

ID:	1615
PubChem CID:	4774
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	34.29
Dipole, Da:	4.94
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-(1H-imidazol-2-ylmethyl)-4-methylanilino]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC2=NC=CN2)C3=CC=C(C=C3)O

DOS

IR

Vibrations