Geometry & MOs

Info

ID:	342410
PubChem CID:	127265233
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	5.45
IP(EA), eV:	-9.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC(C)NC(=O)C=CC2=CN=CC=C2

DOS

IR

Vibrations