Geometry & MOs

Info

ID:	121711
PubChem CID:	50778526
Reduced:	ClO2N6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	36.81
Dipole, Da:	11.8
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)NC2=C(C=CC(=C2)N3C=NN=N3)N4CCCC4

DOS

IR

Vibrations