Geometry & MOs

Info

ID:	236809
PubChem CID:	92714759
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-64.37
Dipole, Da:	7.77
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-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=C(C=C(C=C3C)C)C

DOS

IR

Vibrations