Geometry & MOs

Info

ID:	236811
PubChem CID:	92714761
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	315.138305
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	7.76
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[(6R)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NN(C(=O)C=C2C1)CC(=O)NC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations