Geometry & MOs

Info

ID:	432347
PubChem CID:	135172480
Reduced:	N7O9C45H49 (1)
Stoich.:	A7B9C45D49 (1)
Weight, g/mol:	203.188529
ΔH_f, kcal/mol:	-132.37
Dipole, Da:	10.5
IP(EA), eV:	-7.87(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-ethoxypropoxy)ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCN4CCN(CC4)CCOC5=C6COC/C=C/COCC7=CC(=CC=C7)C8=NC(=NC=C8)NC(=C6)C=C5

DOS

IR

Vibrations