Geometry & MOs

Info

ID:	427078
PubChem CID:	135155384
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	388.17467
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	2.81
IP(EA), eV:	-7.9(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formic acid;9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-3H-pyrazolo[1,5-c]quinazolin-5-one

Drug info:

PubChemData

Smile

CC(=C)C1=NC2=CC(=C(C=C2C3=C1CCC(N3)(C)C)OC)OCCCN4CCCC4

DOS

IR

Vibrations