Geometry & MOs

Info

ID:	50044
PubChem CID:	11538999
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	419.203134
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	6.58
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenothiazin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H](C(=O)NC2=CC3=C(C=C2)N=CC=C3)NC(=O)[C@H](CCCN)N

DOS

IR

Vibrations