Geometry & MOs

Info

ID:	362008
PubChem CID:	127305354
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	2.92
IP(EA), eV:	-8.91(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations