Geometry & MOs

Info

ID:	314938
PubChem CID:	126623991
Reduced:	O3N7H25C26 (1)
Stoich.:	A3B7C25D26 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	11.89
Dipole, Da:	13.67
IP(EA), eV:	-8.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-acetyl-5-pyridazin-4-ylindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)NC5=CN=CN=C5)C(=O)C

DOS

IR

Vibrations