Geometry & MOs

Info

ID:	160922
PubChem CID:	57390249
Reduced:	ClON5H14C17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	95.09
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[(4,6-dimethoxypyrimidin-2-yl)amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=NN=C(O2)N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations