Geometry & MOs

Info

ID:	234659
PubChem CID:	92303254
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	411.175833
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	7.15
IP(EA), eV:	-8.82(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C=CN=C2CN(C[C@H]3CCCO3)C(=O)C4CCC4

DOS

IR

Vibrations