Geometry & MOs

Info

ID:	329885
PubChem CID:	127246752
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	20.82
Dipole, Da:	6.5
IP(EA), eV:	-8.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCCC3C4=CC(=NC=C4)NC

DOS

IR

Vibrations