Geometry & MOs

Info

ID:	416619
PubChem CID:	135089837
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	382.167273
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	7.5
IP(EA), eV:	-9.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-chloro-1-methylindazol-3-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N3C[C@@H]4COC[C@H](C3)N(C4=O)C

DOS

IR

Vibrations