Geometry & MOs

Info

ID:	344022
PubChem CID:	127267198
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	88.36
Dipole, Da:	9.87
IP(EA), eV:	-9.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cinnolin-3-yl-1-methyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(CN(CCC2)C(=O)NC3=CN=NN3C4=CC=CC=C4)C=N1

DOS

IR

Vibrations