Geometry & MOs

Info

ID:	329897
PubChem CID:	127246764
Reduced:	N5C17H25 (1)
Stoich.:	A5B17C25 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	44.11
Dipole, Da:	5.75
IP(EA), eV:	-8.42(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C1CN2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations