Geometry & MOs

Info

ID:	281176
PubChem CID:	103911265
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	6.54
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxan-4-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)N)NCC2CC2(C)C

DOS

IR

Vibrations