Geometry & MOs

Info

ID:	71090
PubChem CID:	48414276
Reduced:	BrO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-24.0
Dipole, Da:	4.71
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations