Geometry & MOs

Info

ID:	30518
PubChem CID:	841442
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	-129.25
Dipole, Da:	7.47
IP(EA), eV:	-9.23(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)O)C

DOS

IR

Vibrations