Geometry & MOs

Info

ID:	69932
PubChem CID:	47205797
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	3.17
IP(EA), eV:	-9.71(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NCCCN1C=CC=N1

DOS

IR

Vibrations