Geometry & MOs

Info

ID:	252244
PubChem CID:	103110018
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	23.22
Dipole, Da:	6.78
IP(EA), eV:	-8.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=C(N=NS2)C

DOS

IR

Vibrations