Geometry & MOs

Info

ID:	399684
PubChem CID:	135041751
Reduced:	ClO2H4N5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	98.83
Dipole, Da:	6.13
IP(EA), eV:	-10.18(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (NZ)-N-(2,2-dimethylpropylidene)carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)[N+](=O)[O-])N2C=NC(=N2)Cl

DOS

IR

Vibrations