Geometry & MOs

Info

ID:	121684
PubChem CID:	50776919
Reduced:	ClON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	387.073432
ΔH_f, kcal/mol:	77.05
Dipole, Da:	10.71
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-chloro-5-(tetrazol-1-yl)phenyl]carbamoyl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)N3C=NN=N3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations