Geometry & MOs

Info

ID:	291418
PubChem CID:	112378986
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	2.54
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations