Geometry & MOs

Info

ID:	367481
PubChem CID:	127324812
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-95.95
Dipole, Da:	7.97
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-oxo-N-(1-phenylpiperidin-3-yl)cinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations