Geometry & MOs

Info

ID:	447172
PubChem CID:	135280938
Reduced:	NO3H4C6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	335.2613
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	4.31
IP(EA), eV:	-9.86(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-methyl-4-(3-methylpentan-2-yl)cyclohexa-2,4-dien-1-yl]prop-2-enyl]-1-phenylethanimine

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1O2)C(=O)N(C3=O)CC(=O)NCC(=O)O

DOS

IR

Vibrations