Geometry & MOs

Info

ID:	198645
PubChem CID:	79129620
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	223.193614
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	5.51
IP(EA), eV:	-9.31(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-methylpentan-2-yl)cycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)C(C)(C1(CCCC2=CC=CC=C21)C#N)O

DOS

IR

Vibrations