Geometry & MOs

Info

ID:	234678
PubChem CID:	92303289
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	6.84
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=CN=C2CN(C[C@@H]3CCCO3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations