Geometry & MOs

Info

ID:	176496
PubChem CID:	76060243
Reduced:	N5O5C34H39 (1)
Stoich.:	A5B5C34D39 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-125.53
Dipole, Da:	4.54
IP(EA), eV:	-9.01(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-1-oxopentan-2-yl)naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN(CC1=CC(=CC=C1)OC)C(=O)C(CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations