Geometry & MOs

Info

ID:	126786
PubChem CID:	50978465
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	383.160692
ΔH_f, kcal/mol:	39.2
Dipole, Da:	4.61
IP(EA), eV:	-8.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-2-ylidene)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4

DOS

IR

Vibrations