Geometry & MOs

Info

ID:	439301
PubChem CID:	135229069
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	343.158372
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	2.76
IP(EA), eV:	-8.68(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-[(6E)-4-[(4-fluorophenyl)methoxy]-6-methoxyiminocyclohexa-2,4-dien-1-ylidene]methyl]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCCC(CCO)NC1=NC(=NC=C1OCCCC2=CC=C(C=C2)CC)N

DOS

IR

Vibrations