Geometry & MOs

Info

ID:	152860
PubChem CID:	56311939
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-89.73
Dipole, Da:	2.06
IP(EA), eV:	-8.62(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations