Geometry & MOs

Info

ID:	189348
PubChem CID:	77843902
Reduced:	SO3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	7.17
IP(EA), eV:	-9.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6-ethyl-2-methylquinoline-4-carbonyl)-2-methyl-5,6,8,9-tetrahydro-4aH-pyrimido[4,5-d]azepin-4-one

Drug info:

PubChemData

Smile

C1CN(C2CS(=O)(=O)CC2N1CC3=CC=CC=N3)C(=O)CN4C=NC=N4

DOS

IR

Vibrations