Geometry & MOs

Info

ID:	365859
PubChem CID:	127318815
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	7.38
IP(EA), eV:	-8.82(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations