Geometry & MOs

Info

ID:	416537
PubChem CID:	135089588
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	384.231397
ΔH_f, kcal/mol:	9.32
Dipole, Da:	2.7
IP(EA), eV:	-8.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[2-(6-methylpyridin-2-yl)ethyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CCCNC(=O)CSC3=NC=CC(=N3)C)C

DOS

IR

Vibrations