Geometry & MOs

Info

ID:	160163
PubChem CID:	57304883
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	228.041227
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	3.44
IP(EA), eV:	-10.16(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diaminophosphorylamino)-2,6-dihydroxybenzonitrile

Drug info:

PubChemData

Smile

C[C@]12CCC(CC1CC[C@@H]3[C@H]2C(C[C@]4([C@H]3CCC4C#N)C)O)O

DOS

IR

Vibrations