Geometry & MOs

Info

ID:	139850
PubChem CID:	52607476
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	429.252861
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	3.26
IP(EA), eV:	-9.22(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations