Geometry & MOs

Info

ID:	60442
PubChem CID:	26686073
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	2.02
IP(EA), eV:	-8.7(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N2CCCCC2)CC(=O)NCCOC3=CC=CC=C3

DOS

IR

Vibrations