Geometry & MOs

Info

ID:	160909
PubChem CID:	57390211
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	5.25
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations