Geometry & MOs

Info

ID:	253871
PubChem CID:	103121236
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	14.46
Dipole, Da:	7.74
IP(EA), eV:	-8.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2)C)C#CCCO

DOS

IR

Vibrations