Geometry & MOs

Info

ID:	145984
PubChem CID:	53620991
Reduced:	NSO4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-160.0
Dipole, Da:	3.29
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-2H-chromen-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)(CO)NCCS(=O)(=O)C1=CC=CC(=C1)OC

DOS

IR

Vibrations