Geometry & MOs

Info

ID:	344224
PubChem CID:	127267400
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-79.29
Dipole, Da:	4.19
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-hydroxy-4-[methyl(prop-2-enoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)[C@H]2[C@@H](CCO2)NC(=O)C=C

DOS

IR

Vibrations