Geometry & MOs

Info

ID:	283543
PubChem CID:	103987630
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	4.03
IP(EA), eV:	-9.15(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(CC1CCOC1)C2=COC=C2

DOS

IR

Vibrations