Geometry & MOs

Info

ID:	426201
PubChem CID:	135142619
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	7.15
Dipole, Da:	4.55
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azetidin-1-yl-[6-(1,2-dihydropyridin-5-yl)-1H-indol-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C(=NC3=CN=C4C(=C32)C=CN4)CC(=O)NC5=CC=C(C=C5)CO

DOS

IR

Vibrations