Geometry & MOs

Info

ID:	160760
PubChem CID:	57389705
Reduced:	FO5N8C26H29 (1)
Stoich.:	AB5C8D26E29 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	6.57
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N(C)C)C5=NNN=C5)F

DOS

IR

Vibrations