Geometry & MOs

Info

ID:	255605
PubChem CID:	103133327
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	8.29
IP(EA), eV:	-9.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCNC1COCC1C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations