Geometry & MOs

Info

ID:	173929
PubChem CID:	75701858
Reduced:	N2O2C29H48 (1)
Stoich.:	A2B2C29D48 (1)
Weight, g/mol:	400.308979
ΔH_f, kcal/mol:	-147.19
Dipole, Da:	3.22
IP(EA), eV:	-9.22(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(butylamino)-1-oxo-3-phenylbutan-2-yl]-N-cyclohexylpentanamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(C1CCCCC1)C(C(C)C2=CC=CC=C2)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations