Geometry & MOs

Info

ID:	126475
PubChem CID:	50966288
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	8.25
Dipole, Da:	1.52
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methyl-4-oxo-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-7-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(C2CC2)NCCC(=O)NC3=CC=CC=C3C

DOS

IR

Vibrations