Geometry & MOs

Info

ID:	242776
PubChem CID:	99206242
Reduced:	BrO2S2N3H18C19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	414.06914
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[2-(3,4-dimethylphenoxy)pyridin-4-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2=CN=C(S2)NC(=O)CN(C)C(=O)C3=CSC=C3)Br

DOS

IR

Vibrations