Geometry & MOs

Info

ID:	126456
PubChem CID:	50965612
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	1.44
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

C1CCN(C1)CCC(=O)N2CC[C@H]([C@@H](C2)O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations