Geometry & MOs

Info

ID:	292947
PubChem CID:	117366103
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	2.2
IP(EA), eV:	-8.45(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(2,4,4-trimethylpentan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCC2)C=C1)CC3CCNCC3

DOS

IR

Vibrations