Geometry & MOs

Info

ID:	306253
PubChem CID:	125003334
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	374.13972
ΔH_f, kcal/mol:	-29.52
Dipole, Da:	4.91
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@H](C1)CC2=CN=CC(=N2)C3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations