Geometry & MOs

Info

ID:	442035
PubChem CID:	135248292
Reduced:	O2N4C5H8 (1)
Stoich.:	A2B4C5D8 (1)
Weight, g/mol:	320.048318
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	2.2
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4,5-dichlorocyclohexa-1,3-dien-1-yl)methyl]imidazol-4-yl]phenol

Drug info:

PubChemData

Smile

C1=NNC(=C1C(=O)N)NCO

DOS

IR

Vibrations