Geometry & MOs

Info

ID:	420347
PubChem CID:	135112641
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	368.268845
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)CCNC(=O)CC2=CC3=C(C=C2Cl)OCCO3)C

DOS

IR

Vibrations