Geometry & MOs

Info

ID:	3906
PubChem CID:	10392
Reduced:	NO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	137.047678
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	4.58
IP(EA), eV:	-9.21(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenylcarbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)O

DOS

IR

Vibrations