Geometry & MOs

Info

ID:	207874
PubChem CID:	80465053
Reduced:	BrCl2N2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	65.0
Dipole, Da:	1.12
IP(EA), eV:	-9.62(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(1-methylcyclopropyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1(CC1)C2=NC(=C(C(=N2)Cl)C3=CC=C(C=C3)Br)Cl

DOS

IR

Vibrations