Geometry & MOs

Info

ID:	40018
PubChem CID:	8143428
Reduced:	SN4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	405.192666
ΔH_f, kcal/mol:	71.0
Dipole, Da:	8.32
IP(EA), eV:	-8.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=S)N=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations