Geometry & MOs

Info

ID:	162130
PubChem CID:	57393713
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	3.41
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(dimethylamino)-2-methylpyridin-3-yl]-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(N=C(C=C3)OC)C)C

DOS

IR

Vibrations