Geometry & MOs

Info

ID:	417548
PubChem CID:	135101815
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	6.1
IP(EA), eV:	-8.9(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-propylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCN(CC2)CCC3=CC=CC=C3

DOS

IR

Vibrations