Geometry & MOs

Info

ID:	160618
PubChem CID:	57389230
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	12.13
Dipole, Da:	3.25
IP(EA), eV:	-9.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one

Drug info:

PubChemData

Smile

COC1=NC=C2C=CC3=C(NN=C3C2=N1)C(=O)NC4CCNCC4

DOS

IR

Vibrations