Geometry & MOs

Info

ID:	227672
PubChem CID:	87562203
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	162.042927
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	6.7
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-aminobenzoyl isocyanate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3.C1=CC(=CC=C1C(=O)N=C=O)N

DOS

IR

Vibrations