Geometry & MOs

Info

ID:	173936
PubChem CID:	75702789
Reduced:	N2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	528.356323
ΔH_f, kcal/mol:	-183.37
Dipole, Da:	2.85
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC2=C(C=C1)OCO2)N(CC3=CC=CO3)C(=O)CCC4CCCCC4

DOS

IR

Vibrations