Geometry & MOs

Info

ID:	69015
PubChem CID:	46515551
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	424.181173
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	5.22
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)O)C2NC3=CC=CC=C3C(=O)N2CCOC

DOS

IR

Vibrations