Geometry & MOs

Info

ID:	421498
PubChem CID:	135116122
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	403.237211
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	6.5
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)C)CCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations