Geometry & MOs

Info

ID:	217625
PubChem CID:	85088117
Reduced:	H11C15 (2)
Stoich.:	A11B15 (2)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	106.42
Dipole, Da:	0.7
IP(EA), eV:	-8.87(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-1,3,6-trimethyl-5-(2-methylpropylamino)-4a,5,6,9a-tetrahydropyrimido[4,5-b]azepine-2,4-dione

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3C14C(C5=CC=CC=C35)C(=CC6=CC=CC=C6)C7=CC=CC=C47

DOS

IR

Vibrations