Geometry & MOs

Info

ID:	59952
PubChem CID:	26512241
Reduced:	N2O3C23H32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	382.213067
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	2.99
IP(EA), eV:	-8.27(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations