Geometry & MOs

Info

ID:	190955
PubChem CID:	78085210
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	2.87
IP(EA), eV:	-9.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylmethyl)-2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-6-oxo-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1C=CCN1C(=O)C2CNC(NC2=O)C3=CC=CC=N3

DOS

IR

Vibrations