Geometry & MOs

Info

ID:	336197
PubChem CID:	127255204
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-96.72
Dipole, Da:	3.9
IP(EA), eV:	-8.22(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-5-oxo-N-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)NCCOC3=CC=CC=C3OC

DOS

IR

Vibrations