Geometry & MOs

Info

ID:	139311
PubChem CID:	52508014
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	2.99
IP(EA), eV:	-9.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2,4-dioxo-N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N[C@@H](C)CC[C@H]3CCCO3)NC1=O

DOS

IR

Vibrations