Geometry & MOs

Info

ID:	179735
PubChem CID:	76522324
Reduced:	N3O7C19H27 (1)
Stoich.:	A3B7C19D27 (1)
Weight, g/mol:	489.217618
ΔH_f, kcal/mol:	-216.48
Dipole, Da:	6.57
IP(EA), eV:	-9.44(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-1-cyanopentyl)-3-[[2-(4-fluorophenyl)acetyl]amino]-4-(pyridin-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)OC2=C(C=CC(=C2)CN(C(=O)O)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations