Geometry & MOs

Info

ID:	169545
PubChem CID:	75118502
Reduced:	ClFN4O4C21H28 (1)
Stoich.:	ABC4D4E21F28 (1)
Weight, g/mol:	438.207862
ΔH_f, kcal/mol:	-196.41
Dipole, Da:	5.33
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-2,4a,5,5a,6,7,8,9,9a,9b-decahydro-1H-pyrimido[5,4-b]indol-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1CC2C(CC1OC)NC3C2NCN(C3=O)CC(=O)NCC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations