Geometry & MOs

Info

ID:	263667
PubChem CID:	103387972
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	309.135638
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	4.99
IP(EA), eV:	-8.32(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)NC(CCCN)COC

DOS

IR

Vibrations