Geometry & MOs

Info

ID:	439217
PubChem CID:	135228983
Reduced:	O5N7H25C29 (1)
Stoich.:	A5B7C25D29 (1)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	-45.07
Dipole, Da:	11.22
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-15-methyl-12-methylidene-18-azatetracyclo[11.2.2.13,10.04,9]octadeca-2,4(9),5,13(17),14-pentaen-18-yl]methanimine

Drug info:

PubChemData

Smile

CCN1C2=C(C=CN=C2NC1=O)OC3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC(=O)NN5C6=CC=C(C=C6)OC

DOS

IR

Vibrations