Geometry & MOs

Info

ID:	378697
PubChem CID:	134224791
Reduced:	SN3O5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-141.87
Dipole, Da:	7.49
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)CNS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations