Geometry & MOs

Info

ID:	335887
PubChem CID:	127254749
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	2.05
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C[C@H]2C(=O)N(C(=O)N2)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations