Geometry & MOs

Info

ID:	443476
PubChem CID:	135259161
Reduced:	SO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	169.18305
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	2.68
IP(EA), eV:	-8.97(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N,1,2,3-tetramethylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C=O)CCCCC3

DOS

IR

Vibrations