Geometry & MOs

Info

ID:	420681
PubChem CID:	135114657
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	398.247047
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	3.15
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations