Geometry & MOs

Info

ID:	27500
PubChem CID:	821666
Reduced:	ClO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NN[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations