Geometry & MOs

Info

ID:	378899
PubChem CID:	134225001
Reduced:	N3C29H31 (1)
Stoich.:	A3B29C31 (1)
Weight, g/mol:	374.272199
ΔH_f, kcal/mol:	112.57
Dipole, Da:	1.28
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1Z,5Z)-1-cyclohexa-1,5-dien-1-yl-2,8-dimethyl-4-methylidene-3-(2-methylphenyl)nona-1,5-dienyl]methanimidamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C)\C(C)/C=C\C(=C)C)/C1=NC(=NC(=N1)C2=CC=CC(=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations