Geometry & MOs

Info

ID:	186044
PubChem CID:	77383627
Reduced:	O3N8C30H34 (1)
Stoich.:	A3B8C30D34 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	62.2
Dipole, Da:	6.75
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylanilino)-5,6,7,8-tetrahydro-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCC1=NC2C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5)C(=O)NNC2OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations