Geometry & MOs

Info

ID:	422178
PubChem CID:	135117346
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	405.217618
ΔH_f, kcal/mol:	24.86
Dipole, Da:	1.63
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)C

DOS

IR

Vibrations