Geometry & MOs

Info

ID:	419541
PubChem CID:	135108397
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	4.95
IP(EA), eV:	-9.55(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)CCC4=NNC(=O)C=C4

DOS

IR

Vibrations