Geometry & MOs

Info

ID:	184305
PubChem CID:	77143560
Reduced:	ClN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	7.07
Dipole, Da:	7.21
IP(EA), eV:	-10.01(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[2-aminopropanoyl(ethyl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C2CN(CC1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations