Geometry & MOs

Info

ID:	186971
PubChem CID:	77509612
Reduced:	ClFO2N3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	7.27
IP(EA), eV:	-8.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-4-methoxyphenyl)-3,7-dimethyl-5-pentan-2-yl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CCC(C)C1=C2C(=O)N(C(NN2C(=C1)C)C3=CC(=C(C=C3Cl)OC)F)C4CC4

DOS

IR

Vibrations