Geometry & MOs

Info

ID:	234677
PubChem CID:	92303288
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	3.25
IP(EA), eV:	-9.08(-0.13)
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-[[(2S)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)N(C[C@@H]1CCCO1)CC2=NC=CN2CC3=CC(=CC=C3)OC

DOS

IR

Vibrations