Geometry & MOs

Info

ID:	332262
PubChem CID:	127250548
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	448.171082
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	5.7
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2,6-difluorophenyl)pyridin-2-yl]morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N)OC

DOS

IR

Vibrations