Geometry & MOs

Info

ID:	151041
PubChem CID:	53790738
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	5.27
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide

Drug info:

PubChemData

Smile

CC=CCOC(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2C

DOS

IR

Vibrations