Geometry & MOs

Info

ID:	431814
PubChem CID:	135171920
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	0.45
IP(EA), eV:	-8.43(2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]-3-aminophenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2CCC2OC

DOS

IR

Vibrations