Geometry & MOs

Info

ID:	152079
PubChem CID:	56310932
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	6.35
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC(=CC=C2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations