Geometry & MOs

Info

ID:	234666
PubChem CID:	92303273
Reduced:	ClO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	4.72
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N(C[C@H]1CCCO1)CC2=NC=CN2CC3=CC=CC=C3Cl

DOS

IR

Vibrations