Geometry & MOs

Info

ID:	127771
PubChem CID:	51014484
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	482.15689
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	4.72
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-12-benzyl-14,14-diethoxy-15,15-dimethyl-9-aza-12-azoniatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene;bromide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2C[C@H]3CC[C@H](C2)N3CC4=CC=CO4)OC

DOS

IR

Vibrations