Geometry & MOs

Info

ID:	321886
PubChem CID:	126667214
Reduced:	ON7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	449.290309
ΔH_f, kcal/mol:	75.12
Dipole, Da:	3.68
IP(EA), eV:	-7.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(dimethylamino)ethyl]-4-N-[4-(2-ethanimidoylanilino)-1,2-dihydropyridin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine

Drug info:

PubChemData

Smile

CC1=NN(C2=CC=CC=C12)C3=CC(=NC=C3)NC4=C(C=C(C(=C4)N)N(C)CCN(C)C)OC

DOS

IR

Vibrations