Geometry & MOs

Info

ID:	395552
PubChem CID:	135025784
Reduced:	ON3H17C25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	114.61
Dipole, Da:	3.84
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC4=CC=CC=C4N3C5=NC=CC=N5

DOS

IR

Vibrations