Geometry & MOs

Info

ID:	186978
PubChem CID:	77510307
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	375.171355
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	6.55
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxy-4-methylphenyl)-3-ethyl-7-methyl-5-propan-2-yl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)OC)C2NN3C(=CC(=C3C(=O)N2CC)C(C)C)C

DOS

IR

Vibrations