Geometry & MOs

Info

ID:	253841
PubChem CID:	103121032
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-23.39
Dipole, Da:	5.08
IP(EA), eV:	-9.11(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C)(CN)NC(=O)C1=NN(C=C1)C

DOS

IR

Vibrations