Geometry & MOs

Info

ID:	3744
PubChem CID:	10100
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	2.47
IP(EA), eV:	-8.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C

DOS

IR

Vibrations