Geometry & MOs

Info

ID:	300067
PubChem CID:	119526660
Reduced:	OSCl2N4C22H30 (1)
Stoich.:	ABC2D4E22F30 (1)
Weight, g/mol:	336.171689
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	5.85
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CSCC(=O)NCC(C3=CC=C(C=C3)C(C)C)N.Cl.Cl

DOS

IR

Vibrations