Geometry & MOs

Info

ID:	40123
PubChem CID:	8143599
Reduced:	SN4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	411.05824
ΔH_f, kcal/mol:	75.93
Dipole, Da:	3.55
IP(EA), eV:	-8.09(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)CC4=CC=CC=C4)C

DOS

IR

Vibrations