Geometry & MOs

Info

ID:	418346
PubChem CID:	135104240
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	6.26
IP(EA), eV:	-8.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN(C)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations