Geometry & MOs

Info

ID:	160094
PubChem CID:	57304712
Reduced:	O2N3C23H47 (1)
Stoich.:	A2B3C23D47 (1)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	4.55
IP(EA), eV:	-9.06(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-6a-ethyl-3-[4-[(2-methylpropan-2-yl)oxy]pentyl]-1,2,3,5,6,8-hexahydrocyclopenta[f]chromen-7-one

Drug info:

PubChemData

Smile

CCNC1(CCCCC1C(=O)OCC)NCCCCCCCCCCCCN

DOS

IR

Vibrations