Geometry & MOs

Info

ID:	420945
PubChem CID:	135115080
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	354.253195
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	6.99
IP(EA), eV:	-8.95(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations