Geometry & MOs

Info

ID:	325720
PubChem CID:	126684628
Reduced:	ON4C19H38 (1)
Stoich.:	AB4C19D38 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	4.01
IP(EA), eV:	-8.14(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[2-methyl-3-(4-methylphenyl)propanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C(C)CC(C)(C)N2CCN(CC2)C

DOS

IR

Vibrations