Geometry & MOs

Info

ID:	229269
PubChem CID:	87567298
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	382.08921
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	4.47
IP(EA), eV:	-8.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[bromo(phenyl)carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC(=O)C=C1O)/NC(CC2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations