Geometry & MOs

Info

ID:	64465
PubChem CID:	29200922
Reduced:	N2O2C13H16 (2)
Stoich.:	A2B2C13D16 (2)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	1.33
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CCNC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations