Geometry & MOs

Info

ID:	156458
PubChem CID:	56370709
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	5.39
IP(EA), eV:	-8.43(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCCCC(=O)N(C)CC2=NC3=CC=CC=C3C(=N2)C

DOS

IR

Vibrations