Geometry & MOs

Info

ID:	447669
PubChem CID:	135284604
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	4.53
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-amino-2,4-dimethylpentoxy)-3-methylphenyl]-N-(oxolan-3-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC=NC3=CC=NN23)Cl)NC(=O)O

DOS

IR

Vibrations