Geometry & MOs

Info

ID:	254174
PubChem CID:	103123248
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	24.59
Dipole, Da:	3.9
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCCC1N)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations