Geometry & MOs

Info

ID:	225201
PubChem CID:	85747911
Reduced:	N3H14C19 (2)
Stoich.:	A3B14C19 (2)
Weight, g/mol:	358.204513
ΔH_f, kcal/mol:	239.53
Dipole, Da:	10.81
IP(EA), eV:	-8.4(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminobutyl)-4-pyren-1-ylbutanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=CC3=C(N=C(C(=N3)C#N)C#N)C=CC4=CC5=C(C=C4)N(C6=CC=CC=C65)CC)C7=CC=CC=C71

DOS

IR

Vibrations