Geometry & MOs

Info

ID:	449906
PubChem CID:	135302440
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	7.03
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-amino-1,3-benzoxazol-2-yl)pyridin-2-yl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=CC3=CC(=NC=C3C=C2)NC(=O)CN4C[C@H]5CCC[C@@H]4CO5

DOS

IR

Vibrations