Geometry & MOs

Info

ID:	390660
PubChem CID:	135000214
Reduced:	B2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	284.221226
ΔH_f, kcal/mol:	-358.51
Dipole, Da:	5.84
IP(EA), eV:	-8.28(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-hexan-3-yl]-3,5-bis[(1S)-1-methoxyethyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@H](C2=CC=C(C=C2)OC)C(=C)B3OC(C(O3)(C)C)(C)C

DOS

IR

Vibrations