Geometry & MOs

Info

ID:	373683
PubChem CID:	131318731
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-173.37
Dipole, Da:	2.69
IP(EA), eV:	-10.36(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-hydroxy-2,3,6-trimethylphenyl)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)CC1(CCCC12CCCCC2)O

DOS

IR

Vibrations