Geometry & MOs

Info

ID:	395553
PubChem CID:	135025785
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	4.83
Dipole, Da:	1.6
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-methoxyanilino)-4-phenylbut-2-ynoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations