Geometry & MOs

Info

ID:	194966
PubChem CID:	78614085
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	408.138188
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	1.9
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[[5-(furan-2-yl)-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl]methyl]-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CN2CCCC2)C3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations