Geometry & MOs

Info

ID:	295142
PubChem CID:	117518457
Reduced:	BrNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	353.07389
ΔH_f, kcal/mol:	-91.24
Dipole, Da:	2.77
IP(EA), eV:	-9.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2=NOC(=C2)C(=O)O)OC)C(C)C)Br

DOS

IR

Vibrations