Geometry & MOs

Info

ID:	125739
PubChem CID:	50936441
Reduced:	N2O4C22H35 (1)
Stoich.:	A2B4C22D35 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-114.72
Dipole, Da:	16.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023967
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCCN(C1C[C@H]2CC[C@H](C1)[NH+]2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations