Geometry & MOs

Info

ID:	439186
PubChem CID:	135228951
Reduced:	OSN5C27H37 (1)
Stoich.:	ABC5D27E37 (1)
Weight, g/mol:	335.2613
ΔH_f, kcal/mol:	127.98
Dipole, Da:	7.62
IP(EA), eV:	-8.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[6-methyl-2-[4-(3-methylphenyl)pentan-2-yl]cyclohexa-1,3-dien-1-yl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=CN=CN2C1CC(C3CCN(CC3)C(=NC)C/C=C/C=C(\C)/SC)N=O)C=C

DOS

IR

Vibrations