Geometry & MOs

Info

ID:	403693
PubChem CID:	135061373
Reduced:	ON2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	439.150761
ΔH_f, kcal/mol:	42.41
Dipole, Da:	3.12
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-1-benzyl-6-phenyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=N2)N(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations