Geometry & MOs

Info

ID:	156661
PubChem CID:	56371580
Reduced:	N2O4C29H38 (1)
Stoich.:	A2B4C29D38 (1)
Weight, g/mol:	461.11142
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	4.91
IP(EA), eV:	-8.27(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations