Geometry & MOs

Info

ID:	16195
PubChem CID:	461237
Reduced:	N9C27H53 (1)
Stoich.:	A9B27C53 (1)
Weight, g/mol:	503.442393
ΔH_f, kcal/mol:	34.83
Dipole, Da:	3.82
IP(EA), eV:	-8.59(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)pyridin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

C1CNCCNCCCN(CCNC1)CC2=NC(=CC=C2)CN3CCCNCCNCCCNCC3

DOS

IR

Vibrations