Geometry & MOs

Info

ID:	320758
PubChem CID:	126663242
Reduced:	N4O4C37H46 (1)
Stoich.:	A4B4C37D46 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	2.57
IP(EA), eV:	-8.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methylamino)-N-(4-propanoylphenyl)hexanamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=O)CCCN3CCC4(CC3)N(CN(O4)CC5=CC=CC=C5C(=O)OC(C)(C)C)C6=CC=CC=C6)C

DOS

IR

Vibrations