Geometry & MOs

Info

ID:	34048
PubChem CID:	7889594
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	403.214744
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	3.6
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations