Geometry & MOs

Info

ID:	363121
PubChem CID:	127310154
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	394.06405
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	5.01
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC(=NC4=CC=CC=C43)C(C)C

DOS

IR

Vibrations