Geometry & MOs

Info

ID:	325726
PubChem CID:	126684662
Reduced:	ON3C23H39 (1)
Stoich.:	AB3C23D39 (1)
Weight, g/mol:	511.257003
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	3.98
IP(EA), eV:	-8.37(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[2-methyl-5-[4-(2-methylpropoxy)phenyl]pent-4-enoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2CCCN(C2)C(C)(C)COC3CCN(CC3)C(C)C

DOS

IR

Vibrations