Geometry & MOs

Info

ID:	314723
PubChem CID:	126622862
Reduced:	O3N5H27C31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	517.21139
ΔH_f, kcal/mol:	23.59
Dipole, Da:	6.95
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-acetyl-5-naphthalen-2-ylindazol-1-yl)acetyl]-N-(6-methylpyridin-2-yl)azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCN2C(=O)CN3C4=C(C=C(C=C4)C5=CC6=CC=CC=C6C=C5)C(=N3)C(=O)C

DOS

IR

Vibrations