Geometry & MOs

Info

ID:	361989
PubChem CID:	127305335
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	5.99
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl)CN4C=CC=N4

DOS

IR

Vibrations