Geometry & MOs

Info

ID:	167659
PubChem CID:	74853851
Reduced:	O4N5C25H33 (1)
Stoich.:	A4B5C25D33 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-129.72
Dipole, Da:	6.63
IP(EA), eV:	-9.28(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-2-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-4aH-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=NNC4N3C5CCCCC5C(=O)N4C

DOS

IR

Vibrations