Geometry & MOs

Info

ID:	48580
PubChem CID:	11108706
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	1.97
IP(EA), eV:	-8.84(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-6-pentylphenyl)benzonitrile

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=CC(=C2)[C@@H](CNC(C)(C)C)O)C

DOS

IR

Vibrations