Geometry & MOs

Info

ID:	364066
PubChem CID:	127313739
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-57.16
Dipole, Da:	3.29
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[(3-methyloxetan-3-yl)methylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(NC2=C1)C(=O)NCC3(COC3)C)C

DOS

IR

Vibrations