Geometry & MOs

Info

ID:	190721
PubChem CID:	78047112
Reduced:	FON6H19C23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	29.76
Dipole, Da:	6.15
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-methylspiro[2,3,3a,4-tetrahydro-1H-pyrazolo[3,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(N(C2=O)C3=CC(=CC=C3)F)C(C)NC4=NC(=NC=C4C#N)N

DOS

IR

Vibrations