Geometry & MOs

Info

ID:	243622
PubChem CID:	99233442
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	20.77
Dipole, Da:	7.53
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2CCCN2C(=O)C3=CC(=NC4=C3C(=NO4)C)C5CC5)C

DOS

IR

Vibrations