Geometry & MOs

Info

ID:	423306
PubChem CID:	135119265
Reduced:	O2N4C19H26 (2)
Stoich.:	A2B4C19D26 (2)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	6.71
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-cyclopropylquinoline-4-carbonyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)CC4=CN=C(N=C4)NC(C)C

DOS

IR

Vibrations