Geometry & MOs

Info

ID:	282124
PubChem CID:	103916393
Reduced:	NO3C18H35 (1)
Stoich.:	AB3C18D35 (1)
Weight, g/mol:	297.079953
ΔH_f, kcal/mol:	-204.88
Dipole, Da:	3.79
IP(EA), eV:	-9.19(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-chlorophenyl)ethanamine

Drug info:

PubChemData

Smile

CCCC(C)COC1(CCCN(C1)C(=O)OC(C)(C)C)CC

DOS

IR

Vibrations