Geometry & MOs

Info

ID:	395591
PubChem CID:	135025897
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	1.77
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-anilino-4-(4-methylphenyl)but-2-ynoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(C#CC(=O)OC)C2=CC=CC=C2)C

DOS

IR

Vibrations