Geometry & MOs

Info

ID:	220775
PubChem CID:	85239374
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	13.1
Dipole, Da:	3.84
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-yl)pyrazolidin-3-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)CC=CC2=CC=CC=C2

DOS

IR

Vibrations