Geometry & MOs

Info

ID:	435335
PubChem CID:	135191225
Reduced:	N4C11H22 (1)
Stoich.:	A4B11C22 (1)
Weight, g/mol:	275.1674
ΔH_f, kcal/mol:	35.01
Dipole, Da:	2.73
IP(EA), eV:	-8.27(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12-hexaene

Drug info:

PubChemData

Smile

CC/C(=C/C(CN=C)C(=NC)NC)/NC

DOS

IR

Vibrations