Geometry & MOs

Info

ID:	171852
PubChem CID:	75433687
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	2.7
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylquinazolin-2-yl)-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)NC(=O)C(=O)NCC2CCC(CC2)(C)C

DOS

IR

Vibrations