Geometry & MOs

Info

ID:	446956
PubChem CID:	135279088
Reduced:	N3C14H29 (1)
Stoich.:	A3B14C29 (1)
Weight, g/mol:	398.325691
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	2.05
IP(EA), eV:	-8.15(2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-(2-propan-2-yloxyethyl)-2,5-diazabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCN1CC(C1)N2CCN(CC2)C(C)(C)C

DOS

IR

Vibrations