Geometry & MOs

Info

ID:	395590
PubChem CID:	135025896
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	7.67
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,5-dimethylanilino)-4-phenylbut-2-ynoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

DOS

IR

Vibrations