Geometry & MOs

Info

ID:	372464
PubChem CID:	131298060
Reduced:	SN3O3C9H9 (1)
Stoich.:	AB3C3D9E9 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	6.53
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-(4-hydroxy-3-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C2=CN(C(=O)N2)CC(=O)O

DOS

IR

Vibrations