Geometry & MOs

Info

ID:	356579
PubChem CID:	127291805
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	5.59
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CC2)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C)OC

DOS

IR

Vibrations