Geometry & MOs

Info

ID:	147860
PubChem CID:	53787518
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	3.95
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-4-(1-methoxyethoxy)benzene;toluene

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC(=C3)C(=C)C4CCCCC4

DOS

IR

Vibrations