Geometry & MOs

Info

ID:	285317
PubChem CID:	104099020
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	264.231397
ΔH_f, kcal/mol:	-0.76
Dipole, Da:	4.11
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylbutan-2-yl)-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CNCCN3C=CN=N3)Cl)OC1

DOS

IR

Vibrations