Geometry & MOs

Info

ID:	397518
PubChem CID:	135030327
Reduced:	N3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	72.03
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947545
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-indol-1-yl-4-methyl-6-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CC[N+]2=CN(N=C2C1)C3=CC=CC=C3

DOS

IR

Vibrations