Geometry & MOs

Info

ID:	14575
PubChem CID:	415237
Reduced:	N2C16H33 (1)
Stoich.:	A2B16C33 (1)
Weight, g/mol:	253.264374
ΔH_f, kcal/mol:	-3.16
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750623
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[3-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propyl]azanium

Drug info:

PubChemData

Smile

CC1(C2CCC1(CN(C2)CCC[N+](C)(C)C)C)C

DOS

IR

Vibrations