Geometry & MOs

Info

ID:	420068
PubChem CID:	135110984
Reduced:	SN3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	50.46
Dipole, Da:	2.51
IP(EA), eV:	-8.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-2-benzyl-7-(4-chloro-1-methylpyrazole-3-carbonyl)-N,N-dimethyl-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2S1)CN3CCCC4(C3)CCC5=CN=C(N=C45)C

DOS

IR

Vibrations