Geometry & MOs

Info

ID:	431640
PubChem CID:	135171736
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	431.314792
ΔH_f, kcal/mol:	-191.02
Dipole, Da:	5.85
IP(EA), eV:	-9.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-amino-4-[[1-(3-methylbutanoyl)piperidin-4-yl]-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCC(C)(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)C#C

DOS

IR

Vibrations