Geometry & MOs

Info

ID:	147858
PubChem CID:	53787516
Reduced:	NO4C25H45 (1)
Stoich.:	AB4C25D45 (1)
Weight, g/mol:	813.363868
ΔH_f, kcal/mol:	-213.64
Dipole, Da:	5.27
IP(EA), eV:	-9.13(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-acetyl-2-butyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCC(C=C[C@H]1CCC[C@@H]1CC=CCC(C)C(CN(C)C)(C(=O)OC)O)O

DOS

IR

Vibrations