Geometry & MOs

Info

ID:	280784
PubChem CID:	103851280
Reduced:	NO4C10H17 (1)
Stoich.:	AB4C10D17 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-179.19
Dipole, Da:	2.17
IP(EA), eV:	-9.39(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCOC(C2)CO

DOS

IR

Vibrations