Geometry & MOs

Info

ID:	361230
PubChem CID:	127302185
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-80.45
Dipole, Da:	7.57
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N,1-dimethyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations