Geometry & MOs

Info

ID:	172399
PubChem CID:	75504084
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	7.99
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2C=NC=N2)NC3CCC(CC3)OC

DOS

IR

Vibrations