Geometry & MOs

Info

ID:	165684
PubChem CID:	74583385
Reduced:	ClON4C21H33 (1)
Stoich.:	ABC4D21E33 (1)
Weight, g/mol:	484.248584
ΔH_f, kcal/mol:	-51.81
Dipole, Da:	2.89
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-cyclopentyloxy-3-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1CC(CN1CC2=CC=CC=C2Cl)NC3CCN(CC3)CC

DOS

IR

Vibrations