Geometry & MOs

Info

ID:	438201
PubChem CID:	135227894
Reduced:	N3C13H16 (2)
Stoich.:	A3B13C16 (2)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	129.58
Dipole, Da:	7.19
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCC(C)/C(=C\C=C/C=C)/C(C1=CC=CC=N1)NC2=C(C=CC(=C2)C3=C(N=NN3C)C)N

DOS

IR

Vibrations