Geometry & MOs

Info

ID:	331767
PubChem CID:	127250051
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	5.49
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=NC(=CC=C2)C3CN(CCO3)C(=O)CN4C(=O)C=CC(=N4)C

DOS

IR

Vibrations