Geometry & MOs

Info

ID:	417544
PubChem CID:	135100988
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	13.84
Dipole, Da:	2.5
IP(EA), eV:	-8.67(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCN1C2CN(C2)CC3=CC(=NO3)C

DOS

IR

Vibrations