Geometry & MOs

Info

ID:	136594
PubChem CID:	52070656
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	420.135304
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	3.46
IP(EA), eV:	-8.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CN3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)OC

DOS

IR

Vibrations