Geometry & MOs

Info

ID:	423895
PubChem CID:	135120664
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	5.71
IP(EA), eV:	-8.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-morpholin-4-ylbenzoyl)piperidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCCN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations