Geometry & MOs

Info

ID:	332255
PubChem CID:	127250541
Reduced:	F2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	444.196154
ΔH_f, kcal/mol:	-121.52
Dipole, Da:	5.62
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-3-(2-methyl-3H-benzimidazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=C(C=CC=C4F)F

DOS

IR

Vibrations