Geometry & MOs

Info

ID:	243741
PubChem CID:	99234507
Reduced:	N4O6C21H30 (1)
Stoich.:	A4B6C21D30 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	5.07
IP(EA), eV:	-9.52(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H](C1)CNC(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations