Geometry & MOs

Info

ID:	162129
PubChem CID:	57393704
Reduced:	SN3O5C29H35 (1)
Stoich.:	AB3C5D29E35 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	5.74
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-2-methylpyridin-3-yl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCN1/C(=C/2\C3=C(C=CC(=C3)C)NC2=O)/SC(=CC4=CC(=C(C(=C4)OC)OC)OC)C1=O

DOS

IR

Vibrations