Geometry & MOs

Info

ID:	446976
PubChem CID:	135279242
Reduced:	N5O5C42H43 (1)
Stoich.:	A5B5C42D43 (1)
Weight, g/mol:	308.319149
ΔH_f, kcal/mol:	-104.61
Dipole, Da:	8.27
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-2-ethyl-N,1,2,3,4,5,8-heptamethyl-6-azabicyclo[3.2.1]octan-4-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1NC(=O)C2=NC=C(C=C2)N3CCN(CC3)CCCCCOC4=CC=C(C=C4)C5=C(C=CC6=C5C=CC(=C6)O)C7=CC=CC=C7

DOS

IR

Vibrations