Geometry & MOs

Info

ID:	173773
PubChem CID:	75680068
Reduced:	ClON5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	76.65
Dipole, Da:	11.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.851129
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyrazol-1-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=NN1CC(C)C2=CC(=O)[N+]3=NC(C=C3N2)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations