Geometry & MOs

Info

ID:	397520
PubChem CID:	135030334
Reduced:	ClO2N3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	402.132805
ΔH_f, kcal/mol:	4.81
Dipole, Da:	3.13
IP(EA), eV:	-8.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-indol-1-yl-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C2=CC=CC=C2Cl)N3C=CC4=CC=CC=C43)C

DOS

IR

Vibrations