Geometry & MOs

Info

ID:	423742
PubChem CID:	135120142
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	414.253195
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	7.08
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC(=C(C=C2)OC(C)C)OC

DOS

IR

Vibrations