Geometry & MOs

Info

ID:	414999
PubChem CID:	135087979
Reduced:	O4N7C31H37 (1)
Stoich.:	A4B7C31D37 (1)
Weight, g/mol:	359.187674
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	7.09
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=CC=NN4C5=CC=CC=C5

DOS

IR

Vibrations