Geometry & MOs

Info

ID:	253849
PubChem CID:	103121090
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	55.31
Dipole, Da:	4.41
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C(CN)C1CC1)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations