Geometry & MOs

Info

ID:	376123
PubChem CID:	134222126
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	5.8
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-cyanoquinolin-5-yl)-6-methyl-N-piperidin-4-ylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)CO)C2=C3C=CC=NC3=C(C=C2)C#N

DOS

IR

Vibrations