Geometry & MOs

Info

ID:	312693
PubChem CID:	126607417
Reduced:	PN4O8C18H23 (1)
Stoich.:	AB4C8D18E23 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-328.02
Dipole, Da:	0.88
IP(EA), eV:	-9.55(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-6-chloro-N-(oxan-2-yl)indol-3-amine

Drug info:

PubChemData

Smile

CCCOC(=O)[C@H](C)NP(=O)(OC1=CC=CC=C1)ON=C2C(=O)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations