Geometry & MOs

Info

ID:	372401
PubChem CID:	131297006
Reduced:	N3C12H19 (1)
Stoich.:	A3B12C19 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	26.35
Dipole, Da:	5.57
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1)C#N)C)C(CN)C(C)C

DOS

IR

Vibrations