Geometry & MOs

Info

ID:	378969
PubChem CID:	134228606
Reduced:	F2O4N9C28H39 (1)
Stoich.:	A2B4C9D28E39 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	8.09
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2-methoxyethoxy)ethoxy]-5-propan-2-ylphenyl]tetrazole

Drug info:

PubChemData

Smile

CC1(C[C@@H](C[C@H]2N1CCC2)N=C(C(=C)F)NC(=NC)NC3=CC(=C(C=C3F)OCC4(COC4)CO)N5C(=O)N(N=N5)C)C

DOS

IR

Vibrations