Geometry & MOs

Info

ID:	375350
PubChem CID:	131500057
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	4.87
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N2CCC(C2=O)O

DOS

IR

Vibrations