Geometry & MOs

Info

ID:	325685
PubChem CID:	126684482
Reduced:	N4O7C52H78 (1)
Stoich.:	A4B7C52D78 (1)
Weight, g/mol:	406.30831
ΔH_f, kcal/mol:	-345.88
Dipole, Da:	3.14
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-4-(2-tert-butyl-2,4,4-trimethylpentoxy)but-2-en-2-yl]-1,3,5-trimethoxybenzene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1C(=O)C2C(C1=O)C(OC2C(C)(C)CC3=CC=CC=C3)C(C)(C)C(C)C4C5C(C(O4)N(COCC)N)C(=O)N(C5=O)C6=CC=CC=C6

DOS

IR

Vibrations