Geometry & MOs

Info

ID:	415919
PubChem CID:	135088921
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	275.145619
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	1.57
IP(EA), eV:	-9.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(3-methylpyrazol-1-yl)-N-[(3-methylsulfanylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations