Geometry & MOs

Info

ID:	402382
PubChem CID:	135055780
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	3.27
IP(EA), eV:	-10.06(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NZ)-N-[(1,3-dioxoisoindol-2-yl)-(4-methoxyphenyl)methylidene]carbamate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]([C@H](C1=CC=C(C=C1)[N+](=O)[O-])N)N

DOS

IR

Vibrations