Geometry & MOs

Info

ID:	420789
PubChem CID:	135114813
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	4.82
IP(EA), eV:	-9.28(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(2-propan-2-ylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations