Geometry & MOs

Info

ID:	383143
PubChem CID:	134974704
Reduced:	O2N4H23C25 (1)
Stoich.:	A2B4C23D25 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	23.49
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754784
Charge, e:	0

Chem-info

IUPAC name:

(1R)-4-benzyl-2,14-dimethyl-2,4,12,14-tetrazapentacyclo[10.8.0.01,5.06,11.015,20]icosa-6,8,10,15,17,19-hexaene-3,13-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C=[N+](C(=O)N3C)CC4=CC=CC=C4)N(C1=O)C5=CC=CC=C5

DOS

IR

Vibrations