Geometry & MOs

Info

ID:	71097
PubChem CID:	48414283
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-38.4
Dipole, Da:	5.91
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(C)C(=O)NCC2=C(NN=C2)C)Br

DOS

IR

Vibrations