Geometry & MOs

Info

ID:	205898
PubChem CID:	80173888
Reduced:	BrFON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	6.33
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-ethylpyrazol-3-yl)-(3,3-diethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)C2=CC(=C(C=C2Br)F)N)CC

DOS

IR

Vibrations