Geometry & MOs

Info

ID:	304569
PubChem CID:	124756313
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	264.114174
ΔH_f, kcal/mol:	19.86
Dipole, Da:	1.64
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-chlorophenyl)-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN1CC2=NN=C(O2)C3=CN=CC=C3)CC4=CC=C(C=C4)C

DOS

IR

Vibrations