Geometry & MOs

Info

ID:	190675
PubChem CID:	78040622
Reduced:	O2F3N3C24H30 (1)
Stoich.:	A2B3C3D24E30 (1)
Weight, g/mol:	436.233763
ΔH_f, kcal/mol:	-238.69
Dipole, Da:	3.13
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3'-(oxan-4-ylamino)-7-(trifluoromethyl)spiro[1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinoline-2,1'-cyclopentane]-3-one

Drug info:

PubChemData

Smile

CC1C2CC3=C(CN2C(=O)C14CCC(C4)NC5CCN(C5)C(=O)C)C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations