Geometry & MOs

Info

ID:	363104
PubChem CID:	127310135
Reduced:	ClON2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	337.200156
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	4.8
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)Cl

DOS

IR

Vibrations