Geometry & MOs

Info

ID:	267327
PubChem CID:	103581837
Reduced:	BrClNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	327.01379
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	3.28
IP(EA), eV:	-9.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC(C(C)(C)NCC1=CC(=C(C=C1)Br)Cl)O

DOS

IR

Vibrations