Geometry & MOs

Info

ID:	427117
PubChem CID:	135155560
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	441.262757
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	2.95
IP(EA), eV:	-8.03(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(tert-butylamino)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(COCC3)C(=N2)NC4CC4)OCCCN5CCCC5

DOS

IR

Vibrations