Geometry & MOs

Info

ID:	369451
PubChem CID:	127333429
Reduced:	OSN5C20H33 (1)
Stoich.:	ABC5D20E33 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	4.34
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)CC(=O)NC3=NC4=C(S3)CCC4)C

DOS

IR

Vibrations