Geometry & MOs

Info

ID:	226297
PubChem CID:	87350383
Reduced:	O2N6C45H50 (1)
Stoich.:	A2B6C45D50 (1)
Weight, g/mol:	338.15536
ΔH_f, kcal/mol:	122.12
Dipole, Da:	12.96
IP(EA), eV:	-7.8(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2NC3=CC=C/C(=C\4/C=C(C(=O)C(=C4)N5N=C6C=CC=CC6=N5)C(C)(C)C)/C3=N2)O)C(C)(C)C7=CC=CC=C7

DOS

IR

Vibrations