Geometry & MOs

Info

ID:	342239
PubChem CID:	127265016
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	434.139544
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	3.46
IP(EA), eV:	-8.98(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1,3,3-trimethyl-2-[[(2-nitrophenoxy)-phenylphosphoryl]methylidene]indole

Drug info:

PubChemData

Smile

CC(C)(C)CN(C)CC(=O)N1CCCC(C1)C(=O)NCC2CC2

DOS

IR

Vibrations