Geometry & MOs

Info

ID:	80221
PubChem CID:	49833632
Reduced:	SF3O4N7H20C27 (1)
Stoich.:	AB3C4D7E20F27 (1)
Weight, g/mol:	264.114174
ΔH_f, kcal/mol:	-181.74
Dipole, Da:	10.38
IP(EA), eV:	-9.64(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(F)(F)F)C3=CC4=C(N=C3)N(C=C(C4=O)C(=O)O)CC5=CC=NC=C5

DOS

IR

Vibrations