Geometry & MOs

Info

ID:	121149
PubChem CID:	50757377
Reduced:	O3N4C29H34 (1)
Stoich.:	A3B4C29D34 (1)
Weight, g/mol:	494.212947
ΔH_f, kcal/mol:	-92.21
Dipole, Da:	6.63
IP(EA), eV:	-8.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-acetamido-N-cyclopentyl-8-fluoro-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C3=C(C4=CC=CC=C4N3CC2(C)C(=O)NC5CCCCC5)NC(=O)C

DOS

IR

Vibrations