Geometry & MOs

Info

ID:	438958
PubChem CID:	135228719
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	6.8
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-(2-methylphenyl)prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/C)/C=N)C(C)(C)C

DOS

IR

Vibrations