Geometry & MOs

Info

ID:	307508
PubChem CID:	125307249
Reduced:	BrON4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	317.079186
ΔH_f, kcal/mol:	125.26
Dipole, Da:	4.15
IP(EA), eV:	-8.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4H-imidazol-5-yl)ethyl]-5-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)C(C)(C)C)/C=N\N2CN=C3C4=C(C=CC(=C4)Br)N=C3C2=O

DOS

IR

Vibrations