Geometry & MOs

Info

ID:	46290
PubChem CID:	10523744
Reduced:	PN3O6C16H18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	379.125609
ΔH_f, kcal/mol:	-265.63
Dipole, Da:	4.23
IP(EA), eV:	-9.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5Z)-5-(1,2-dihydrotetrazol-5-ylidene)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2COP(=O)(OC[C@H]2O[C@H]1N3C=CC(=NC3=O)N)OC4=CC=CC=C4

DOS

IR

Vibrations