Geometry & MOs

Info

ID:	445204
PubChem CID:	135264897
Reduced:	N2H26C27 (1)
Stoich.:	A2B26C27 (1)
Weight, g/mol:	548.354883
ΔH_f, kcal/mol:	114.06
Dipole, Da:	2.32
IP(EA), eV:	-8.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclononyl-[4-[7-(dimethylamino)-1,9-diethyl-10H-phenothiazin-3-yl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C/C(=C\1/C=CC=CC1CN=C)/N2C=CC3=C2C=CC4=C3C5=CC=CC=C5C4(C)C

DOS

IR

Vibrations