Geometry & MOs

Info

ID:	200698
PubChem CID:	79429919
Reduced:	BrClN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	305.165876
ΔH_f, kcal/mol:	28.21
Dipole, Da:	1.03
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(CN)C2=CC(=CC=C2)Cl)CC

DOS

IR

Vibrations