Geometry & MOs

Info

ID:	26390
PubChem CID:	646046
Reduced:	O3N6C27H32 (1)
Stoich.:	A3B6C27D32 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-9.28
Dipole, Da:	10.14
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethoxybenzoyl)piperidine-1-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C(C1=CC=CN1C)N(C2=CC=C(C=C2)OC)C(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations