Geometry & MOs

Info

ID:	253872
PubChem CID:	103121237
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	3.56
Dipole, Da:	5.25
IP(EA), eV:	-8.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations