Geometry & MOs

Info

ID:	271735
PubChem CID:	103690141
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	359.209658
ΔH_f, kcal/mol:	-204.4
Dipole, Da:	2.83
IP(EA), eV:	-9.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl(phenylmethoxycarbonyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C(=O)OCC1=CC=CC=C1)C2(CCCOCC2)C(=O)O

DOS

IR

Vibrations