Geometry & MOs

Info

ID:	287935
PubChem CID:	104300809
Reduced:	ClNSO3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	3.31
IP(EA), eV:	-9.63(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C2=CC=CS2)C(=O)O)Cl

DOS

IR

Vibrations