Geometry & MOs

Info

ID:	320611
PubChem CID:	126662044
Reduced:	O4N5C30H43 (1)
Stoich.:	A4B5C30D43 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	2.6
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohepta-1,3,5-trien-1-yl-N-(1,4-dihydroxybutan-2-yl)-2-propylhex-5-enamide

Drug info:

PubChemData

Smile

CC/C(=N/O)/CCNC(=O)C1CCC(=CC1)C2=CCC=C(C=C2)OCC3CCN(CC3)C4=NC(=NO4)C(C)C

DOS

IR

Vibrations