Geometry & MOs

Info

ID:	131100
PubChem CID:	51155996
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	6.8
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)/C=C/C1=CN(C2=CC=CC=C21)CCC#N

DOS

IR

Vibrations