Geometry & MOs

Info

ID:	363122
PubChem CID:	127310155
Reduced:	BrO3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	3.45
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-4-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CN3C=C(C=CC3=O)Br

DOS

IR

Vibrations