Geometry & MOs

Info

ID:	417682
PubChem CID:	135102489
Reduced:	S2O5N7C28H43 (1)
Stoich.:	A2B5C7D28E43 (1)
Weight, g/mol:	375.242296
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	8.97
IP(EA), eV:	-8.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1'-[(1-methylindol-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=C(C=CC(=C3)OCCCN4C=C(C2)N=N4)C)CCSC

DOS

IR

Vibrations