Geometry & MOs

Info

ID:	321884
PubChem CID:	126667210
Reduced:	F2O2N9C26H29 (1)
Stoich.:	A2B2C9D26E29 (1)
Weight, g/mol:	475.233188
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	3.47
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(3-methylindazol-1-yl)pyridin-2-yl]-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1N=CC=C2)C3=NC(=NC=N3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC(F)F

DOS

IR

Vibrations