Geometry & MOs

Info

ID:	135054
PubChem CID:	51805951
Reduced:	N2O4C25H42 (1)
Stoich.:	A2B4C25D42 (1)
Weight, g/mol:	434.314458
ΔH_f, kcal/mol:	-201.5
Dipole, Da:	4.26
IP(EA), eV:	-8.47(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-2-(butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-ethyl-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N(CCC)[C@@H](C1=CC(=C(C=C1)OC)OC)C(=O)NCCCC

DOS

IR

Vibrations