Geometry & MOs

Info

ID:	363160
PubChem CID:	127310193
Reduced:	ClON2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	2.43
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(N3)C=CC(=C4Cl)Cl

DOS

IR

Vibrations