Geometry & MOs

Info

ID:	253845
PubChem CID:	103121071
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	-18.07
Dipole, Da:	7.18
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-aminobut-2-enyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCNC1)CNC(=O)C2=NN(C=C2)C

DOS

IR

Vibrations