Geometry & MOs

Info

ID:	189411
PubChem CID:	77851825
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	337.143784
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	6.22
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NCCNC(=O)C2=NOC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations