Geometry & MOs

Info

ID:	241788
PubChem CID:	96024265
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	343.085432
ΔH_f, kcal/mol:	33.93
Dipole, Da:	3.64
IP(EA), eV:	-8.91(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2,6-dichloropyridin-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CN=CN3

DOS

IR

Vibrations