Geometry & MOs

Info

ID:	401785
PubChem CID:	135052561
Reduced:	N2C16H19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	34.07
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.404269
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(Z)-[3-(4-methoxyphenyl)-3-oxo-2-phenylpropylidene]amino]carbamate

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C[N+]2=CC=CC3=C2C(=CC=C3)N1

DOS

IR

Vibrations