Geometry & MOs

Info

ID:	198648
PubChem CID:	79129760
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	5.23
IP(EA), eV:	-10.31(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CCC(C(C)C)(C1(CCCC(C1)C)C#N)O

DOS

IR

Vibrations