Geometry & MOs

Info

ID:	329859
PubChem CID:	127246726
Reduced:	N5C17H25 (1)
Stoich.:	A5B17C25 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	53.57
Dipole, Da:	5.7
IP(EA), eV:	-8.54(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-[2-methyl-5-(2-methylpropyl)pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations