Geometry & MOs

Info

ID:	131286
PubChem CID:	51186671
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	378.107185
ΔH_f, kcal/mol:	-6.69
Dipole, Da:	2.08
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=NC2=CC=CC=C2C=C1)C3=CC(=CC=C3)OC

DOS

IR

Vibrations