Geometry & MOs

Info

ID:	436304
PubChem CID:	135198563
Reduced:	F3O3N7C25H32 (1)
Stoich.:	A3B3C7D25E32 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-200.76
Dipole, Da:	5.34
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-1,3-oxazol-4-yl)-[2-ethyl-5-(4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)anilino]methanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=CC1)C(F)(F)F)NC(C)(C2=COC(=N2)N)O)C3=CN(N=C3)CC(=O)NC4CCN(CC4)C

DOS

IR

Vibrations