Geometry & MOs

Info

ID:	375351
PubChem CID:	131500061
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-37.12
Dipole, Da:	3.33
IP(EA), eV:	-9.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-amino-2,3-dihydroxypropyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C(C(CO)O)N

DOS

IR

Vibrations