Geometry & MOs

Info

ID:	335554
PubChem CID:	127254416
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	2.7
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2S,3S)-3-methyl-2-(tetrazol-1-yl)pentanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)OCC4=NC=CN4C)O

DOS

IR

Vibrations