Geometry & MOs

Info

ID:	206276
PubChem CID:	80225529
Reduced:	BrSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	-104.14
Dipole, Da:	10.16
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1S(=O)(=O)C2=C(C=C(C=C2)N)Br)C)C

DOS

IR

Vibrations