Geometry & MOs

Info

ID:	201062
PubChem CID:	79484426
Reduced:	SN3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	30.19
Dipole, Da:	3.15
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(aminomethyl)-1-methylpyrazol-3-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C2=C(C=NN2)CNC(C)(C)C

DOS

IR

Vibrations