Geometry & MOs

Info

ID:	41469
PubChem CID:	8145931
Reduced:	N2O2C11H16 (2)
Stoich.:	A2B2C11D16 (2)
Weight, g/mol:	388.111973
ΔH_f, kcal/mol:	-153.75
Dipole, Da:	2.5
IP(EA), eV:	-8.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)CC[C@@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations