Geometry & MOs

Info

ID:	283273
PubChem CID:	103970119
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	3.6
IP(EA), eV:	-9.13(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)NCC2(CCCCC2)CN

DOS

IR

Vibrations