Geometry & MOs

Info

ID:	253843
PubChem CID:	103121064
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	2.83
IP(EA), eV:	-9.19(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

COC1CCN(C(C1)CN)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations