Geometry & MOs

Info

ID:	167579
PubChem CID:	74846740
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	507.309707
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	7.1
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)N(CC=C)CC(=O)N(CC1=CC=CC=C1)CC2=COC3CCC(CC3C2=O)C

DOS

IR

Vibrations