Geometry & MOs

Info

ID:	335965
PubChem CID:	127254972
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	7.98
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-5-methoxypyran-4-one

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)CC(=O)NCCN3C=CN=C3)C

DOS

IR

Vibrations