Geometry & MOs

Info

ID:	440329
PubChem CID:	135230276
Reduced:	FO5N8C30H33 (1)
Stoich.:	AB5C8D30E33 (1)
Weight, g/mol:	238.097837
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	12.71
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-methoxy-1-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)C(=O)NC)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations