Geometry & MOs

Info

ID:	242578
PubChem CID:	97857420
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-22.97
Dipole, Da:	3.29
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-1,3-dihydroisoindol-5-amine

Drug info:

PubChemData

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CC[C@@H](C)NC1=CC(=CC=C1)[S@](=O)C

DOS

IR

Vibrations