Geometry & MOs

Info

ID:	152180
PubChem CID:	56311052
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	6.11
IP(EA), eV:	-8.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations