Geometry & MOs

Info

ID:	305952
PubChem CID:	124975870
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	2.14
IP(EA), eV:	-7.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[4-[2-(benzylamino)pyridin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)NC2=CC=CC(=N2)[C@H]3CN(CCO3)CC4=CC5=C(C=CC(=C5)OC)OC4

DOS

IR

Vibrations