Geometry & MOs

Info

ID:	171307
PubChem CID:	75356663
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	3.47
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CC2C(=O)N(C(=O)N2)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations