Geometry & MOs

Info

ID:	167090
PubChem CID:	74779195
Reduced:	O3N5C19H20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	365.148789
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	2.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.164034
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[methyl-[(4-oxo-4aH-quinazolin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C#N)NC(=O)C[NH+](C)CC2=NC(=O)C3C=CC=CC3=N2)C

DOS

IR

Vibrations