Geometry & MOs

Info

ID:	281212
PubChem CID:	103911481
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	263.118925
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	5.41
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)NCCOCCC=C

DOS

IR

Vibrations