Geometry & MOs

Info

ID:	406356
PubChem CID:	135077341
Reduced:	N2O8C19H24 (1)
Stoich.:	A2B8C19D24 (1)
Weight, g/mol:	354.191657
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	10.93
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(dimethylamino)ethoxy]phenyl]-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@@H](O2)/[N+](=C/C4=CC=C(C=C4)[N+](=O)[O-])/[O-])OC(O3)(C)C)C

DOS

IR

Vibrations