Geometry & MOs

Info

ID:	418591
PubChem CID:	135105991
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C(=O)NC2CCC(=O)N(C2)C)CN(CC)CC

DOS

IR

Vibrations