Geometry & MOs

Info

ID:	275785
PubChem CID:	103817711
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	2.77
IP(EA), eV:	-8.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C)NCC2=C(C=CO2)Br

DOS

IR

Vibrations