Geometry & MOs

Info

ID:	346232
PubChem CID:	127270723
Reduced:	O2N4C15H28 (1)
Stoich.:	A2B4C15D28 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	6.45
IP(EA), eV:	-9.15(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)CN2CCCN(CC2)C(=O)N)C

DOS

IR

Vibrations