Geometry & MOs

Info

ID:	233124
PubChem CID:	87692435
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	295.108754
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	6.83
IP(EA), eV:	-8.59(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-[(2-chloropyridin-3-yl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/N=C(NO2)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O)/C=CC1=O

DOS

IR

Vibrations