Geometry & MOs

Info

ID:	280882
PubChem CID:	103851750
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	3.19
IP(EA), eV:	-9.14(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC2(CCOCC2)CO)C

DOS

IR

Vibrations