Geometry & MOs

Info

ID:	169543
PubChem CID:	75118473
Reduced:	N4O6C27H28 (1)
Stoich.:	A4B6C27D28 (1)
Weight, g/mol:	357.15628
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	4.32
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-(7,8-dimethoxy-4-oxo-1,4a-dihydropyrimido[5,4-b]indol-3-ium-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)CN3C4CCCCC4C(=O)N(C3=O)C5=CC=CC=C5C(=O)OC

DOS

IR

Vibrations