Geometry & MOs

Info

ID:	73678
PubChem CID:	48419828
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	59.15
Dipole, Da:	5.18
IP(EA), eV:	-8.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC=CC(=C2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

DOS

IR

Vibrations