Geometry & MOs

Info

ID:	297890
PubChem CID:	117636398
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-158.0
Dipole, Da:	2.56
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-(3H-benzimidazol-5-yl)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)O

DOS

IR

Vibrations