Geometry & MOs

Info

ID:	335135
PubChem CID:	127253996
Reduced:	ClN3O7H24C26 (1)
Stoich.:	AB3C7D24E26 (1)
Weight, g/mol:	428.148455
ΔH_f, kcal/mol:	-212.73
Dipole, Da:	3.14
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-(pyrimidin-2-ylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C(=O)N5CCNC5=O

DOS

IR

Vibrations