Geometry & MOs

Info

ID:	196623
PubChem CID:	78855819
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	2.39
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

CCCCN(CCO)C(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

DOS

IR

Vibrations