Geometry & MOs

Info

ID:	151965
PubChem CID:	56310799
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-161.99
Dipole, Da:	4.88
IP(EA), eV:	-8.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(COC2=CC=C(C=C2)OC)O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations