Geometry & MOs

Info

ID:	64058
PubChem CID:	29195920
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	0.4
Dipole, Da:	3.85
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

DOS

IR

Vibrations