Geometry & MOs

Info

ID:	449339
PubChem CID:	135297767
Reduced:	OF2N6C28H30 (1)
Stoich.:	AB2C6D28E30 (1)
Weight, g/mol:	422.191818
ΔH_f, kcal/mol:	-20.62
Dipole, Da:	5.5
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(8S)-3-(2,6-difluorophenyl)-5,8-diethyl-6,7-dihydro-5H-cinnolin-8-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC[C@@](C2=NN=C(C=C12)C3=C(C=CC=C3F)F)(C)C4=NC(=CN=C4)C5=NN(C=C5)CC(C)(C)O

DOS

IR

Vibrations