Geometry & MOs

Info

ID:	383305
PubChem CID:	134974948
Reduced:	O3N10C20H30 (1)
Stoich.:	A3B10C20D30 (1)
Weight, g/mol:	355.19814
ΔH_f, kcal/mol:	118.53
Dipole, Da:	1.81
IP(EA), eV:	-9.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,5,6,9,12,13,14,19,20,21-undecazapentacyclo[7.7.7.13,6.112,15.118,21]hexacosa-3(26),4,13,15(25),18(24),19-hexaene

Drug info:

PubChemData

Smile

CC1(COCC2=CN(CCN(CCN3C=C(COC1)N=N3)CCN=[N+]=[N-])N=N2)COCC#C

DOS

IR

Vibrations