Geometry & MOs

Info

ID:	166577
PubChem CID:	74711476
Reduced:	N2O4C20H21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	286.157382
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	6.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100910
Charge, e:	1

Chem-info

IUPAC name:

butan-2-yl-[(3-chloro-4,5-diethoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)OCC2=CC(=O)[NH+]3C=C(C=CC3=N2)C

DOS

IR

Vibrations