Geometry & MOs

Info

ID:	135782
PubChem CID:	51934896
Reduced:	ClFO2N4C20H24 (1)
Stoich.:	ABC2D4E20F24 (1)
Weight, g/mol:	417.112316
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	4.92
IP(EA), eV:	-8.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C1CCN(CC1)C2=CC(=NC(=N2)N)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations