Geometry & MOs

Info

ID:	399689
PubChem CID:	135041760
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-1.15
Dipole, Da:	4.01
IP(EA), eV:	-8.28(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(3-methylanilino)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CC(=NO2)C3=CC=C(C=C3)N

DOS

IR

Vibrations