Geometry & MOs

Info

ID:	347740
PubChem CID:	127272802
Reduced:	OF2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	10.03
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]methyl]-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations