Geometry & MOs

Info

ID:	224634
PubChem CID:	85345490
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	2.69
IP(EA), eV:	-9.1(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)propyl]pent-4-enoate

Drug info:

PubChemData

Smile

C1C(C(C(N1)CNC(C2=CC=CC=C2)C3=CC=CC=C3)O)O

DOS

IR

Vibrations