Geometry & MOs

Info

ID:	131437
PubChem CID:	51204577
Reduced:	N4O5H12C17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	2.37
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(phenylcarbamoyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

DOS

IR

Vibrations