Geometry & MOs

Info

ID:	376230
PubChem CID:	134222240
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	433.284161
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	2.6
IP(EA), eV:	-8.67(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-methyl-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCCC([C@H](CC1)N)SC=C

DOS

IR

Vibrations