Geometry & MOs

Info

ID:	146177
PubChem CID:	53648484
Reduced:	O7H12C16 (1)
Stoich.:	A7B12C16 (1)
Weight, g/mol:	488.180818
ΔH_f, kcal/mol:	-225.65
Dipole, Da:	5.89
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-butyl-1-[[3-nitro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1C(=O)C(C(=O)OC1=O)C(=O)C=CC2=CC=C(C=C2)O

DOS

IR

Vibrations