Geometry & MOs

Info

ID:	265795
PubChem CID:	103546647
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-150.77
Dipole, Da:	2.9
IP(EA), eV:	-8.22(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxolan-2-yl)-N-ethyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1OCCO1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations