Geometry & MOs

Info

ID:	188636
PubChem CID:	77746196
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	665.293737
ΔH_f, kcal/mol:	-194.24
Dipole, Da:	2.18
IP(EA), eV:	-10.22(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-benzhydryl-2-[[2,6-dimethoxy-3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-3-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C=CCCCOC1CCCCO1

DOS

IR

Vibrations