Geometry & MOs

Info

ID:	135783
PubChem CID:	51934973
Reduced:	OCl2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	417.112316
ΔH_f, kcal/mol:	32.87
Dipole, Da:	6.36
IP(EA), eV:	-9.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

DOS

IR

Vibrations