Geometry & MOs

Info

ID:	80315
PubChem CID:	49834023
Reduced:	F2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	578.173913
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	4.37
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) (1S)-6-chloro-1-[4-[[1-(hydroxymethyl)cyclohexyl]methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C(CCN(C)C)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations