Geometry & MOs

Info

ID:	177739
PubChem CID:	76222318
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	178.074228
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	3.44
IP(EA), eV:	-8.58(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2,4-dihydroxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)O)C(C)N)C

DOS

IR

Vibrations