Geometry & MOs

Info

ID:	397519
PubChem CID:	135030329
Reduced:	O2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	391.108754
ΔH_f, kcal/mol:	13.81
Dipole, Da:	2.32
IP(EA), eV:	-8.79(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-chlorophenyl)-2-indol-1-yl-6-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C2=CC=CC=C2)N3C=CC4=CC=CC=C43)C

DOS

IR

Vibrations