Geometry & MOs

Info

ID:	141328
PubChem CID:	52861486
Reduced:	N3O6C24H29 (1)
Stoich.:	A3B6C24D29 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-142.39
Dipole, Da:	8.68
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-[[2-(methoxymethyl)benzoyl]amino]pyridin-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)NC[C@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

DOS

IR

Vibrations