Geometry & MOs

Info

ID:	127107
PubChem CID:	50990793
Reduced:	NO12H31C32 (1)
Stoich.:	AB12C31D32 (1)
Weight, g/mol:	447.20591
ΔH_f, kcal/mol:	-438.73
Dipole, Da:	7.99
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(3-aminophenyl)-6-(4-methoxyphenyl)indol-1-yl]-N-cyclopropylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)O[C@@]6(C[C@@H]([C@H](C(O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O

DOS

IR

Vibrations