Geometry & MOs

Info

ID:	38683
PubChem CID:	8137439
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	11.29
Dipole, Da:	3.86
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations