Geometry & MOs

Info

ID:	200697
PubChem CID:	79429918
Reduced:	ClNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	369.06074
ΔH_f, kcal/mol:	-19.57
Dipole, Da:	2.6
IP(EA), eV:	-8.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,5-diethylpyrazol-3-yl)-2-(3-chlorophenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(C2)CC(CN)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations