Geometry & MOs

Info

ID:	175967
PubChem CID:	75976273
Reduced:	O3N4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	357.15628
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	6.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762460
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-N-[(3-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=[N+](C=CC2C(=O)N(C1=O)CC)CC(=O)N3CCCCC3

DOS

IR

Vibrations