Geometry & MOs

Info

ID:	427451
PubChem CID:	135159040
Reduced:	BrON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	60.38
Dipole, Da:	6.31
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethyl)-5-(4-methylphenyl)-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=C(C=C2)Br)O)C3NC4=C(N3)C=C(C=C4)CN

DOS

IR

Vibrations