Geometry & MOs

Info

ID:	173661
PubChem CID:	75666932
Reduced:	O4N5C19H26 (1)
Stoich.:	A4B5C19D26 (1)
Weight, g/mol:	370.176681
ΔH_f, kcal/mol:	-119.17
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.874457
Charge, e:	1

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CO1)NC(=O)CCC[N+]2=CN=C3C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations