Geometry & MOs

Info

ID:	135067
PubChem CID:	51807479
Reduced:	N2O3C25H40 (1)
Stoich.:	A2B3C25D40 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	4.23
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-2-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(CCC)C(=O)C1=CC=CC=C1O

DOS

IR

Vibrations