Geometry & MOs

Info

ID:	257989
PubChem CID:	103149708
Reduced:	BrNOF3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	275.180919
ΔH_f, kcal/mol:	-188.06
Dipole, Da:	2.51
IP(EA), eV:	-9.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylbutan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)F)CC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations