Geometry & MOs

Info

ID:	421757
PubChem CID:	135116549
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	6.28
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CN=C3)C(=O)N(C)C)CO

DOS

IR

Vibrations