Geometry & MOs

Info

ID:	243865
PubChem CID:	99289493
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	430.08921
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	4.97
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCC[C@H]2CC3=CC=CC=C3OC

DOS

IR

Vibrations