Geometry & MOs

Info

ID:	321885
PubChem CID:	126667212
Reduced:	O3N7C25H29 (1)
Stoich.:	A3B7C25D29 (1)
Weight, g/mol:	445.259009
ΔH_f, kcal/mol:	73.55
Dipole, Da:	5.55
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=CC=CC=C12)C3=CC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)CCN(C)C)[N+](=O)[O-]

DOS

IR

Vibrations