Geometry & MOs

Info

ID:	415559
PubChem CID:	135088555
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	6.13
IP(EA), eV:	-9.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCNC(=O)C2=NN3CC(CNC(=O)C3=C2)O

DOS

IR

Vibrations