Geometry & MOs

Info

ID:	415420
PubChem CID:	135088414
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	6.09
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NCC(C2=CC=C(C=C2)Cl)N3CCCCC3

DOS

IR

Vibrations