Geometry & MOs

Info

ID:	327234
PubChem CID:	126689301
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	426.206719
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	3.57
IP(EA), eV:	-8.17(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-1-(2-fluoro-2-methyl-3-phenylmethoxypropyl)benzimidazol-5-yl]-4-methylmorpholin-3-one

Drug info:

PubChemData

Smile

CC1(C(CN(C1=O)C)C2=CC(=C(C=C2)NCCCO)N)C

DOS

IR

Vibrations