Geometry & MOs

Info

ID:	294489
PubChem CID:	117464059
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-65.48
Dipole, Da:	2.12
IP(EA), eV:	-9.15(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylazepan-4-yl)phenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1)C(C)C)OC)C2(CCC2)N=C=O

DOS

IR

Vibrations